(E)-but-2-enedioic acid; [1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methanamine Openeye Name: fumaric acid; [1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methanamine CAS Name: (E)-2-butenedioic acid; [1-(2,4,6-trimethylphenyl)-2-pyrrolyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methanamine Traditional Name: fumaric acid; (1-mesitylpyrrol-2-yl)methylamine Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=CC=C2CN)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=CC=C2CN)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2.C4H4O4/c1-10-7-11(2)14(12(3)8-10)16-6-4-5-13(16)9-15;5-3(6)1-2-4(7)8/h4-8H,9,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+